3-chloro-N-(2-cyano-6-methoxyphenyl)benzamide

C15H11ClN2O2 — CID 107468118

IUPAC3-chloro-N-(2-cyano-6-methoxyphenyl)benzamide
SMILESCOc1cccc(C#N)c1NC(=O)c1cccc(Cl)c1
InChIInChI=1S/C15H11ClN2O2/c1-20-13-7-3-5-11(9-17)14(13)18-15(19)10-4-2-6-12(16)8-10/h2-8H,1H3,(H,18,19)
InChIKeyBODRLWCTCVKYCQ-UHFFFAOYSA-N
MW286.72 g/mol
LogP3.47
Rot. Bonds3

About 3-chloro-N-(2-cyano-6-methoxyphenyl)benzamide

3-chloro-N-(2-cyano-6-methoxyphenyl)benzamide (PubChem CID 107468118) has the molecular formula C15H11ClN2O2 and a molecular weight of 286.72 g/mol. Its IUPAC name is 3-chloro-N-(2-cyano-6-methoxyphenyl)benzamide.

Molecular Properties

Compound Name3-chloro-N-(2-cyano-6-methoxyphenyl)benzamide
PubChem CID107468118
Molecular FormulaC15H11ClN2O2
Molecular Weight286.72 g/mol
Exact Mass286.05
IUPAC Name3-chloro-N-(2-cyano-6-methoxyphenyl)benzamide
SMILESCOc1cccc(C#N)c1NC(=O)c1cccc(Cl)c1
InChIInChI=1S/C15H11ClN2O2/c1-20-13-7-3-5-11(9-17)14(13)18-15(19)10-4-2-6-12(16)8-10/h2-8H,1H3,(H,18,19)
InChIKeyBODRLWCTCVKYCQ-UHFFFAOYSA-N
XLogP3.47
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.72
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-N-(2-cyano-6-methoxyphenyl)-5-methylbenzamide
CID 107468127
2-(3-chlorophenyl)-N-(2-cyano-6-methoxyphenyl)acetamide
CID 107468148
4-(chloromethyl)-N-(2-cyano-6-methoxyphenyl)benzamide
CID 107467181
2-chloro-N-(2-cyano-6-methoxyphenyl)-5-sulfanylbenzamide
CID 107469989
N-(2-cyano-6-methoxyphenyl)-1H-pyrazole-4-carboxamide
CID 107468068
2-(aminomethyl)-N-(2-cyano-6-methoxyphenyl)pyridine-4-carboxamide
CID 107467795
N-[4-[(3-chlorobenzoyl)amino]phenyl]-2,6-dimethoxybenzamide
CID 22775702
N-(2-cyano-6-methoxyphenyl)-2-fluorobenzamide
CID 107467342
6-amino-N-(2-cyano-6-methoxyphenyl)pyridazine-3-carboxamide
CID 107469830
5-amino-N-(2-cyano-6-methoxyphenyl)pyridine-2-carboxamide
CID 107466429
2,4-diamino-N-(2-cyano-6-methoxyphenyl)benzamide
CID 107466376
N-(2-cyano-6-methoxyphenyl)-5-(methoxymethyl)-1,2-oxazole-3-carboxamide
CID 107468124

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(2-cyano-6-methoxyphenyl)benzamide?
The IUPAC name of 3-chloro-N-(2-cyano-6-methoxyphenyl)benzamide (CID 107468118) is 3-chloro-N-(2-cyano-6-methoxyphenyl)benzamide.
What is the SMILES notation for 3-chloro-N-(2-cyano-6-methoxyphenyl)benzamide?
The canonical SMILES for 3-chloro-N-(2-cyano-6-methoxyphenyl)benzamide is COc1cccc(C#N)c1NC(=O)c1cccc(Cl)c1.
What is the InChIKey of 3-chloro-N-(2-cyano-6-methoxyphenyl)benzamide?
The InChIKey is BODRLWCTCVKYCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClN2O2/c1-20-13-7-3-5-11(9-17)14(13)18-15(19)10-4-2-6-12(16)8-10/h2-8H,1H3,(H,18,19).
What are the key properties of 3-chloro-N-(2-cyano-6-methoxyphenyl)benzamide?
3-chloro-N-(2-cyano-6-methoxyphenyl)benzamide has a molecular weight of 286.72 g/mol, XLogP of 3.47, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(2-cyano-6-methoxyphenyl)benzamide is sourced from PubChem (CID 107468118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).